SCHEMBL11269951

SCHEMBL11269951

CCOC(=O)C(CC)c1ccc(N)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
F2 P00734 1/20 0.41
HTT P42858 2/20 0.40
MAPK1 P28482 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 1/20 0.38
KCNQ2 O43526 1/20 0.38
AKR1C3 P42330 4/20 0.38
AKR1C2 P52895 4/20 0.38
AKR1C1 Q04828 1/20 0.38
PTGS1 P23219 1/20 0.38
ALDH1A1 P00352 2/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9743420 0.84 PSEN1 (0.45) SLC6A2SLC6A4SLC6A3HTTMAPK1
SCHEMBL1590616 0.83 AKR1C3 (0.50) KCNQ2AKR1C3AKR1C2AKR1C1PTGS1
Hydrochloric Acid SCHEMBL11262474 0.82 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3HTTMAPK1
SCHEMBL1202976 0.81 F2 (0.39) F2HTTMAPK1MEN1MAPT
SCHEMBL7651122 0.78 F2 (0.43) F2HTTL3MBTL1MEN1KMT2A
SCHEMBL10776675 0.78 ALDH1A1 (0.49) SLC6A2SLC6A4SLC6A3HTTMAPK1
SCHEMBL11039440 0.78 LMNA (0.53) F2HTTL3MBTL1MEN1MAPT
SCHEMBL4517176 0.78 L3MBTL1 (0.49) HTTMAPK1L3MBTL1MEN1MAPT
Hydrochloric Acid SCHEMBL11267071 0.77 ALDH1A1 (0.45) SLC6A2SLC6A4SLC6A3HTTMAPK1
SCHEMBL4800166 0.75 CYP3A4 (0.45) SLC6A2SLC6A4SLC6A3MAPK1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4337264-A ANALGESICS, ANTIINFLAMMATORY AGENTS AND FUNGICIDES CIBA-GEIGY CORPORATION (US) 1982-06-29 US disclosed
US-4316850-A ANTINFLAMMATORY AGENTS CIBA-GEIGY CORPORATION (US) 1982-02-23 US disclosed
US-4264619-A Tertiary aminoacids CIBA-GEIGY CORPORATION (US) 1981-04-28 US disclosed
US-4163788-A ANTIINFLAMMATORY CIBA-GEIGY CORPORATION (US) 1979-08-07 US disclosed
US-4126691-A ANTIINFLAMMATORY CIBA-GEIGY CORPORATION (US) 1978-11-21 US disclosed
US-3997669-A ANTIINFLAMMATORY CIBA-GEIGY CORPORATION (US) 1976-12-14 US disclosed